CID 538531

E-11-methyl-12-tetradecen-1-ol acetate

Structural Information

Molecular Formula
C17H32O2
SMILES
CC=CC(C)CCCCCCCCCCOC(=O)C
InChI
InChI=1S/C17H32O2/c1-4-13-16(2)14-11-9-7-5-6-8-10-12-15-19-17(3)18/h4,13,16H,5-12,14-15H2,1-3H3
InChIKey
XXLYWWIKAYGTIH-UHFFFAOYSA-N
Compound name
11-methyltetradec-12-enyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

268.24023 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.247506 173.7
[M+Na]+ 291.229448 176.7
[M-H]- 267.232954 172.2
[M+NH4]+ 286.274053 190.4
[M+K]+ 307.203388 174.2
[M+H-H2O]+ 251.237490 167.4
[M+HCOO]- 313.238431 192.8
[M+CH3COO]- 327.254081 202.8
[M+Na-2H]- 289.214896 172.4
[M]+ 268.23968142 179.2
[M]- 268.24077858 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.